(E)-5-(1,3-dioxolan-2-yl)pent-2-enal

C8H12O3 — CID 131234498

IUPAC(E)-5-(1,3-dioxolan-2-yl)pent-2-enal
SMILESO=C/C=C/CCC1OCCO1
InChIInChI=1S/C8H12O3/c9-5-3-1-2-4-8-10-6-7-11-8/h1,3,5,8H,2,4,6-7H2/b3-1+
InChIKeyLKRNAICYAOTBQI-HNQUOIGGSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds4

About (E)-5-(1,3-dioxolan-2-yl)pent-2-enal

(E)-5-(1,3-dioxolan-2-yl)pent-2-enal (PubChem CID 131234498) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (E)-5-(1,3-dioxolan-2-yl)pent-2-enal.

Molecular Properties

Compound Name(E)-5-(1,3-dioxolan-2-yl)pent-2-enal
PubChem CID131234498
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(E)-5-(1,3-dioxolan-2-yl)pent-2-enal
SMILESO=C/C=C/CCC1OCCO1
InChIInChI=1S/C8H12O3/c9-5-3-1-2-4-8-10-6-7-11-8/h1,3,5,8H,2,4,6-7H2/b3-1+
InChIKeyLKRNAICYAOTBQI-HNQUOIGGSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6,6-dimethoxyhex-2-enal
CID 15635086
(E)-4-(1,3-dioxolan-2-yl)but-2-enal
CID 11367047
(Z)-5-(1,2,4-trioxolan-3-yl)pent-2-enal
CID 11062650
4-(1,3-Dioxolan-2-yl)-2-butenal
CID 72819411
(E)-6-(2-methoxyethoxymethoxy)hex-2-enal
CID 134861078
(2E)-4-(2-methyl-1,3-dioxolan-2-yl)-2-butenal
CID 10351910
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11355724
(E)-4-(1,3-dioxolan-2-yl)-4-methylpent-2-enal
CID 15324219
(E)-4-(1,3-dioxolan-2-yl)-4-methylhex-2-enal
CID 15324220
11-(1,3-Dioxolan-2-yl)undeca-4,8-dienal
CID 54528985
4-(2-Methyl-1,3-dioxolan-2-yl)but-2-enal
CID 71345348
6,6-Dimethoxyhex-2-enal
CID 73200451

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,3-dioxolan-2-yl)pent-2-enal?
The IUPAC name of (E)-5-(1,3-dioxolan-2-yl)pent-2-enal (CID 131234498) is (E)-5-(1,3-dioxolan-2-yl)pent-2-enal.
What is the SMILES notation for (E)-5-(1,3-dioxolan-2-yl)pent-2-enal?
The canonical SMILES for (E)-5-(1,3-dioxolan-2-yl)pent-2-enal is O=C/C=C/CCC1OCCO1.
What is the InChIKey of (E)-5-(1,3-dioxolan-2-yl)pent-2-enal?
The InChIKey is LKRNAICYAOTBQI-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H12O3/c9-5-3-1-2-4-8-10-6-7-11-8/h1,3,5,8H,2,4,6-7H2/b3-1+.
What are the key properties of (E)-5-(1,3-dioxolan-2-yl)pent-2-enal?
(E)-5-(1,3-dioxolan-2-yl)pent-2-enal has a molecular weight of 156.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,3-dioxolan-2-yl)pent-2-enal is sourced from PubChem (CID 131234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).